SCHEMBL2668611

SCHEMBL2668611

CC1CCC(N(CCOCc2ccc(C(C)C)cc2)C(=O)Nc2ncc(SCC(=O)O)s2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 11/20 0.40
CCNE1 P24864 11/20 0.40
CDK2 P24941 11/20 0.40
CDK4 P11802 6/20 0.40
CCND1 P24385 6/20 0.40
CCNB2 O95067 5/20 0.40
CDK1 P06493 5/20 0.40
CCNB1 P14635 5/20 0.40
CCNB3 Q8WWL7 5/20 0.40
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
HTT P42858 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1240449 1.00 CCNE2 (0.40) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL2656872 0.91 CCNE1 (0.49) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL1240621 0.91 CCNE1 (0.49) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL2668628 0.91 CDK2 (0.41) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL1240445 0.91 CDK2 (0.41) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL1241440 0.90 CCNE1 (0.41) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL1241588 0.90 CDK2 (0.40) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL2668606 0.90 CDK2 (0.40) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL2657625 0.90 CDK2 (0.41) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL2657629 0.90 CDK2 (0.41) CCNE2CCNE1CDK2CDK4CCND1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2377856-A1 Urea glucokinase activators NOVO NORDISK A/S (DK) 2011-10-19 EP disclosed
WO-2007006814-A1 UREA GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2007-01-18 WO disclosed